2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole

C10H16N2OS — CID 151423711

IUPAC2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole
SMILES[2H]C([2H])([2H])O[C@@]1(c2nccs2)CCN[C@@H](C)C1
InChIInChI=1S/C10H16N2OS/c1-8-7-10(13-2,3-4-11-8)9-12-5-6-14-9/h5-6,8,11H,3-4,7H2,1-2H3/t8-,10-/m0/s1/i2D3
InChIKeyPBBSTGDDENQNOL-LBOBOGRXSA-N
MW215.34 g/mol
LogP1.76
Rot. Bonds3

About 2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole

2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole (PubChem CID 151423711) has the molecular formula C10H16N2OS and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole
PubChem CID151423711
Molecular FormulaC10H16N2OS
Molecular Weight215.34 g/mol
Exact Mass215.12
IUPAC Name2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole
SMILES[2H]C([2H])([2H])O[C@@]1(c2nccs2)CCN[C@@H](C)C1
InChIInChI=1S/C10H16N2OS/c1-8-7-10(13-2,3-4-11-8)9-12-5-6-14-9/h5-6,8,11H,3-4,7H2,1-2H3/t8-,10-/m0/s1/i2D3
InChIKeyPBBSTGDDENQNOL-LBOBOGRXSA-N
XLogP1.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole (CID 151423711) is 2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole is [2H]C([2H])([2H])O[C@@]1(c2nccs2)CCN[C@@H](C)C1.
What is the InChIKey of 2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole?
The InChIKey is PBBSTGDDENQNOL-LBOBOGRXSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-7-10(13-2,3-4-11-8)9-12-5-6-14-9/h5-6,8,11H,3-4,7H2,1-2H3/t8-,10-/m0/s1/i2D3.
What are the key properties of 2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole?
2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole has a molecular weight of 215.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-2-methyl-4-(trideuteriomethoxy)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 151423711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).